CID 155487643

N-(3-chloro-2-methoxyphenyl)-2,4-dioxopiperidine-3-carbothioamide

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
COC1=C(C=CC=C1Cl)NC(=S)C2C(=O)CCNC2=O
InChI
InChI=1S/C13H13ClN2O3S/c1-19-11-7(14)3-2-4-8(11)16-13(20)10-9(17)5-6-15-12(10)18/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,20)
InChIKey
OCRYACWKKCLQOJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methoxyphenyl)-2,4-dioxopiperidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.03354 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04082 166.5
[M+Na]+ 335.02276 173.8
[M-H]- 311.02626 170.5
[M+NH4]+ 330.06736 180.3
[M+K]+ 350.99670 167.6
[M+H-H2O]+ 295.03080 160.2
[M+HCOO]- 357.03174 175.6
[M+CH3COO]- 371.04739 201.4
[M+Na-2H]- 333.00821 165.5
[M]+ 312.03299 166.4
[M]- 312.03409 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.